9-[3-(2-methoxyethoxy)propyl]-9-[1,1,2,2-tetrafluoro-3-(2-methoxyethoxy)propyl]fluorene

C25H30F4O4 — CID 126501882

IUPAC9-[3-(2-methoxyethoxy)propyl]-9-[1,1,2,2-tetrafluoro-3-(2-methoxyethoxy)propyl]fluorene
SMILESCOCCOCCCC1(C(F)(F)C(F)(F)COCCOC)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H30F4O4/c1-30-14-16-32-13-7-12-23(25(28,29)24(26,27)18-33-17-15-31-2)21-10-5-3-8-19(21)20-9-4-6-11-22(20)23/h3-6,8-11H,7,12-18H2,1-2H3
InChIKeyJGRSRDQJKWMAIZ-UHFFFAOYSA-N
MW470.50 g/mol
LogP5.33
Rot. Bonds14

About 9-[3-(2-methoxyethoxy)propyl]-9-[1,1,2,2-tetrafluoro-3-(2-methoxyethoxy)propyl]fluorene

9-[3-(2-methoxyethoxy)propyl]-9-[1,1,2,2-tetrafluoro-3-(2-methoxyethoxy)propyl]fluorene (PubChem CID 126501882) has the molecular formula C25H30F4O4 and a molecular weight of 470.50 g/mol. Its IUPAC name is 9-[3-(2-methoxyethoxy)propyl]-9-[1,1,2,2-tetrafluoro-3-(2-methoxyethoxy)propyl]fluorene.

Molecular Properties

Compound Name9-[3-(2-methoxyethoxy)propyl]-9-[1,1,2,2-tetrafluoro-3-(2-methoxyethoxy)propyl]fluorene
PubChem CID126501882
Molecular FormulaC25H30F4O4
Molecular Weight470.50 g/mol
Exact Mass470.21
IUPAC Name9-[3-(2-methoxyethoxy)propyl]-9-[1,1,2,2-tetrafluoro-3-(2-methoxyethoxy)propyl]fluorene
SMILESCOCCOCCCC1(C(F)(F)C(F)(F)COCCOC)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H30F4O4/c1-30-14-16-32-13-7-12-23(25(28,29)24(26,27)18-33-17-15-31-2)21-10-5-3-8-19(21)20-9-4-6-11-22(20)23/h3-6,8-11H,7,12-18H2,1-2H3
InChIKeyJGRSRDQJKWMAIZ-UHFFFAOYSA-N
XLogP5.33
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.50
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 9-[3-(2-methoxyethoxy)propyl]-9-[1,1,2,2-tetrafluoro-3-(2-methoxyethoxy)propyl]fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9-Bis(methoxymethyl)-9H-fluorene
CID 11054211
9,9-Bis(3,6-dioxaheptyl)-fluorene
CID 17894347
9,9-Bis(2-(2-(2-methoxy ethoxy)ethoxy)ethyl)-fluorene
CID 67292775
1,8-Difluoro-9,9-bis(methoxymethyl)fluorene
CID 21972408
2,3,4,5,6,7-Hexafluoro-9,9-bis(methoxymethyl)fluorene
CID 21972415
2,3,6,7-Tetrafluoro-9-(1-methoxyethyl)-9-(methoxymethyl)fluorene
CID 22140456
5-Fluoro-2-methyl-2',3',5',6'-tetrahydrospiro[fluorene-9,4'-pyran]
CID 23151773
[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl] 2,2-difluoropropanoate
CID 58226328
2-Methyl-5-(3,3,4,5-tetrafluoro-1,2-dihydroinden-2-yl)oxane
CID 59467752
2,3,6,7-Tetrafluoro-9-(2-methoxyethyl)-9-(methoxymethyl)fluorene
CID 69406653
3-[5-Fluoro-1-(4-fluorophenyl)-2,3-dihydroinden-1-yl]propan-1-ol
CID 69539186
1-(Trifluoromethyl)-2-[4-[4-[2-(trifluoromethyl)phenyl]butoxy]butyl]benzene
CID 88354991

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2-methoxyethoxy)propyl]-9-[1,1,2,2-tetrafluoro-3-(2-methoxyethoxy)propyl]fluorene?
The IUPAC name of 9-[3-(2-methoxyethoxy)propyl]-9-[1,1,2,2-tetrafluoro-3-(2-methoxyethoxy)propyl]fluorene (CID 126501882) is 9-[3-(2-methoxyethoxy)propyl]-9-[1,1,2,2-tetrafluoro-3-(2-methoxyethoxy)propyl]fluorene.
What is the SMILES notation for 9-[3-(2-methoxyethoxy)propyl]-9-[1,1,2,2-tetrafluoro-3-(2-methoxyethoxy)propyl]fluorene?
The canonical SMILES for 9-[3-(2-methoxyethoxy)propyl]-9-[1,1,2,2-tetrafluoro-3-(2-methoxyethoxy)propyl]fluorene is COCCOCCCC1(C(F)(F)C(F)(F)COCCOC)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[3-(2-methoxyethoxy)propyl]-9-[1,1,2,2-tetrafluoro-3-(2-methoxyethoxy)propyl]fluorene?
The InChIKey is JGRSRDQJKWMAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F4O4/c1-30-14-16-32-13-7-12-23(25(28,29)24(26,27)18-33-17-15-31-2)21-10-5-3-8-19(21)20-9-4-6-11-22(20)23/h3-6,8-11H,7,12-18H2,1-2H3.
What are the key properties of 9-[3-(2-methoxyethoxy)propyl]-9-[1,1,2,2-tetrafluoro-3-(2-methoxyethoxy)propyl]fluorene?
9-[3-(2-methoxyethoxy)propyl]-9-[1,1,2,2-tetrafluoro-3-(2-methoxyethoxy)propyl]fluorene has a molecular weight of 470.50 g/mol, XLogP of 5.33, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2-methoxyethoxy)propyl]-9-[1,1,2,2-tetrafluoro-3-(2-methoxyethoxy)propyl]fluorene is sourced from PubChem (CID 126501882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).